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Ligand

NameCHEMBL2207780
Molecular formulaC26H29FN4O3S
IUPAC name1-[[4-[5-[butyl-(2-fluorobenzoyl)amino]-1,3,4-thiadiazol-2-yl]phenyl]methyl]piperidine-4-carboxylic acid
Molecular weight496.601
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP2.3
SynonymsBDBM50402735
SCHEMBL1965564
Inchi KeyAUALREYQFIXVCC-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H29FN4O3S/c1-2-3-14-31(24(32)21-6-4-5-7-22(21)27)26-29-28-23(35-26)19-10-8-18(9-11-19)17-30-15-12-20(13-16-30)25(33)34/h4-11,20H,2-3,12-17H2,1H3,(H,33,34)
PubChem CID45377937
ChEMBLCHEMBL2207780
IUPHARN/A
BindingDB50402735
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
14465Sphingosine 1-phosphate receptor 1P21453S1PR1Homo sapiens (Human)382
14464Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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